SCHEMBL3043113

SCHEMBL3043113

Cc1cn2c(Nc3cc(C)[nH]n3)nc(-c3cccc(S(=O)(=O)CCCN)c3)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
IGF1R P08069 1/20 0.35
AURKB Q96GD4 7/20 0.34
AURKA O14965 6/20 0.33
ITK Q08881 1/20 0.32
SRC P12931 1/20 0.31
EIF2AK2 P19525 1/20 0.31
SYK P43405 2/20 0.30
LRRK2 Q5S007 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3037557 0.90 GSK3A (0.39) GSK3AGSK3BIGF1RAURKBAURKA
SCHEMBL13221315 0.87 GSK3A (0.41) GSK3AGSK3BIGF1RAURKBAURKA
SCHEMBL3042241 0.87 TDO2 (0.38) GSK3AGSK3BIGF1RAURKBAURKA
SCHEMBL13221357 0.84 BRD4 (0.39) GSK3AGSK3BIGF1RAURKBAURKA
SCHEMBL13221379 0.83 MAP3K5 (0.35) GSK3AGSK3BAURKBAURKAKDM4E
SCHEMBL13221323 0.82 KDM4E (0.40) GSK3AGSK3BIGF1RAURKBKDM4E
SCHEMBL3036838 0.82 BRD4 (0.41) GSK3AGSK3BAURKBAURKAITK
SCHEMBL3044813 0.81 MAPT (0.46) GSK3AGSK3BAURKBAURKAKDM4E
SCHEMBL3041098 0.81 NPSR1 (0.46) KDM4ELMNAMAPT
SCHEMBL13221375 0.81 GSK3A (0.38) GSK3AGSK3BIGF1RAURKBAURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US claimed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US claimed
JP-2008516973-A 2008-05-22 JP claimed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP claimed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO claimed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GSK3A 217/4885GSK3B 200/4885IGF1R 787/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 GSK3A 217/4885GSK3B 200/4885IGF1R 787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.